2-(imidazol-1-ylmethyl)-6-methyl-1-(4-methylphenyl)indole

C20H19N3 — CID 71568313

IUPAC2-(imidazol-1-ylmethyl)-6-methyl-1-(4-methylphenyl)indole
SMILESCc1ccc(-n2c(Cn3ccnc3)cc3ccc(C)cc32)cc1
InChIInChI=1S/C20H19N3/c1-15-4-7-18(8-5-15)23-19(13-22-10-9-21-14-22)12-17-6-3-16(2)11-20(17)23/h3-12,14H,13H2,1-2H3
InChIKeyYSJSUQXQYWSCNL-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.49
Rot. Bonds3

About 2-(imidazol-1-ylmethyl)-6-methyl-1-(4-methylphenyl)indole

2-(imidazol-1-ylmethyl)-6-methyl-1-(4-methylphenyl)indole (PubChem CID 71568313) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(imidazol-1-ylmethyl)-6-methyl-1-(4-methylphenyl)indole.

Molecular Properties

Compound Name2-(imidazol-1-ylmethyl)-6-methyl-1-(4-methylphenyl)indole
PubChem CID71568313
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC Name2-(imidazol-1-ylmethyl)-6-methyl-1-(4-methylphenyl)indole
SMILESCc1ccc(-n2c(Cn3ccnc3)cc3ccc(C)cc32)cc1
InChIInChI=1S/C20H19N3/c1-15-4-7-18(8-5-15)23-19(13-22-10-9-21-14-22)12-17-6-3-16(2)11-20(17)23/h3-12,14H,13H2,1-2H3
InChIKeyYSJSUQXQYWSCNL-UHFFFAOYSA-N
XLogP4.49
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(imidazol-1-ylmethyl)-6-methyl-1-(4-methylphenyl)indole?
The IUPAC name of 2-(imidazol-1-ylmethyl)-6-methyl-1-(4-methylphenyl)indole (CID 71568313) is 2-(imidazol-1-ylmethyl)-6-methyl-1-(4-methylphenyl)indole.
What is the SMILES notation for 2-(imidazol-1-ylmethyl)-6-methyl-1-(4-methylphenyl)indole?
The canonical SMILES for 2-(imidazol-1-ylmethyl)-6-methyl-1-(4-methylphenyl)indole is Cc1ccc(-n2c(Cn3ccnc3)cc3ccc(C)cc32)cc1.
What is the InChIKey of 2-(imidazol-1-ylmethyl)-6-methyl-1-(4-methylphenyl)indole?
The InChIKey is YSJSUQXQYWSCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3/c1-15-4-7-18(8-5-15)23-19(13-22-10-9-21-14-22)12-17-6-3-16(2)11-20(17)23/h3-12,14H,13H2,1-2H3.
What are the key properties of 2-(imidazol-1-ylmethyl)-6-methyl-1-(4-methylphenyl)indole?
2-(imidazol-1-ylmethyl)-6-methyl-1-(4-methylphenyl)indole has a molecular weight of 301.39 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazol-1-ylmethyl)-6-methyl-1-(4-methylphenyl)indole is sourced from PubChem (CID 71568313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).